[2-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2,6-dimethyl-anilino)-2-oxo-ethyl] 1-benzyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid [2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-benzyl-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-2,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3)C)Br

InChI

InChI=1S/C22H23BrN2O4/c1-14-8-18(23)9-15(2)21(14)24-19(26)13-29-22(28)17-10-20(27)25(12-17)11-16-6-4-3-5-7-16/h3-9,17H,10-13H2,1-2H3,(H,24,26)